CID 3010590

Tcmdc-123991

Structural Information

Molecular Formula

C₁₄H₁₅N₅

SMILES

C1CC1CN2C=CC3=C2C=CC4=C3C(=NC(=N4)N)N

InChI

InChI=1S/C14H15N5/c15-13-12-9-5-6-19(7-8-1-2-8)11(9)4-3-10(12)17-14(16)18-13/h3-6,8H,1-2,7H2,(H4,15,16,17,18)

InChIKey

WYILZUNRSQQGGJ-UHFFFAOYSA-N

Compound name

7-(cyclopropylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 253.13275 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

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]+	254.14003	161.5
[M+Na]+	276.12197	174.6
[M-H]-	252.12547	166.8
[M+NH4]+	271.16657	173.3
[M+K]+	292.09591	166.4
[M+H-H2O]+	236.13001	153.3
[M+HCOO]-	298.13095	183.5
[M+CH3COO]-	312.14660	173.1
[M+Na-2H]-	274.10742	167.4
[M]+	253.13220	163.8
[M]-	253.13330	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe