CID 2835010

81000-14-8

Structural Information

Molecular Formula
C20H15N5O3
SMILES
CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C20H15N5O3/c1-12-17-18(13-6-5-9-15(10-13)25(26)27)16(11-21)19(22)28-20(17)24(23-12)14-7-3-2-4-8-14/h2-10,18H,22H2,1H3
InChIKey
IKKPQOGZZKYVQV-UHFFFAOYSA-N
Compound name
6-amino-3-methyl-4-(3-nitrophenyl)-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

373.1175 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12478 194.9
[M+Na]+ 396.10672 204.1
[M-H]- 372.11022 200.5
[M+NH4]+ 391.15132 202.2
[M+K]+ 412.08066 193.0
[M+H-H2O]+ 356.11476 181.5
[M+HCOO]- 418.11570 210.7
[M+CH3COO]- 432.13135 224.2
[M+Na-2H]- 394.09217 197.4
[M]+ 373.11695 187.7
[M]- 373.11805 187.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.