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

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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.