CID 4259181

Sch79797

Structural Information

Molecular Formula
C23H25N5
SMILES
CC(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC4=C3C(=NC(=N4)NC5CC5)N
InChI
InChI=1S/C23H25N5/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27)
InChIKey
AVXQPEKZIGPIJW-UHFFFAOYSA-N
Compound name
3-N-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

93
References

188
Patents

371.211 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.218276 192.5
[M+Na]+ 394.200218 203.0
[M-H]- 370.203724 200.3
[M+NH4]+ 389.244823 199.3
[M+K]+ 410.174158 193.6
[M+H-H2O]+ 354.208260 182.7
[M+HCOO]- 416.209201 212.4
[M+CH3COO]- 430.224851 201.5
[M+Na-2H]- 392.185666 195.4
[M]+ 371.21045142 195.7
[M]- 371.21154858 195.7
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

patents stripe