PubChemLite - Vp 14637 (C25H22N10O3)

Structural Information

Molecular Formula

SMILES

CC1=NN=NN1/N=C\C2=CC(=C(C=C2)O)C(C3=C(C=CC(=C3)/C=N\N4N=NN=C4C)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C25H22N10O3/c1-15-28-30-32-34(15)26-13-17-3-9-23(37)21(11-17)25(19-5-7-20(36)8-6-19)22-12-18(4-10-24(22)38)14-27-35-16(2)29-31-33-35/h3-14,25,36-38H,1-2H3/b26-13-,27-14-

InChIKey

BLUJRJMLDHEMRX-IFADSCNNSA-N

Compound name

2-[[2-hydroxy-5-[(Z)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(Z)-(5-methyltetrazol-1-yl)iminomethyl]phenol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	511.19490	216.9
[M+Na]+	533.17684	231.6
[M+NH4]+	528.22144	218.2
[M+K]+	549.15078	230.7
[M-H]-	509.18034	221.7
[M+Na-2H]-	531.16229	226.8
[M]+	510.18707	220.0
[M]-	510.18817	220.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

511.19490

216.9

[M+Na]+

533.17684

231.6

[M+NH4]+

528.22144

218.2

[M+K]+

549.15078

230.7

[M-H]-

509.18034

221.7

[M+Na-2H]-

531.16229

226.8

[M]+

510.18707

220.0

[M]-

510.18817

220.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Vp 14637

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe