CID 481461

Schembl5861757

Structural Information

Molecular Formula
C22H18N6
SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2CC4=CC5=C(N=C(N=C5N=C4)N)N
InChI
InChI=1S/C22H18N6/c23-20-17-11-14(12-25-21(17)27-22(24)26-20)13-28-18-7-3-1-5-15(18)9-10-16-6-2-4-8-19(16)28/h1-12H,13H2,(H4,23,24,25,26,27)
InChIKey
VXSXETRVYNQUAT-UHFFFAOYSA-N
Compound name
6-(benzo[b][1]benzazepin-11-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.1593 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16658 193.2
[M+Na]+ 389.14852 203.5
[M-H]- 365.15202 198.6
[M+NH4]+ 384.19312 202.1
[M+K]+ 405.12246 198.9
[M+H-H2O]+ 349.15656 181.5
[M+HCOO]- 411.15750 209.1
[M+CH3COO]- 425.17315 201.6
[M+Na-2H]- 387.13397 201.4
[M]+ 366.15875 189.6
[M]- 366.15985 189.6
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

patents stripe