CID 392382

Nsc692738

Structural Information

Molecular Formula
C23H31N5O
SMILES
CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(C)C)NCCN(C)C
InChI
InChI=1S/C23H31N5O/c1-16-8-6-9-17-20(16)26-22-18(21(17)24-12-14-27(2)3)10-7-11-19(22)23(29)25-13-15-28(4)5/h6-11H,12-15H2,1-5H3,(H,24,26)(H,25,29)
InChIKey
VAMZOZCYVTXDBQ-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-9-[2-(dimethylamino)ethylamino]-5-methylacridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.25287 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.26015 198.9
[M+Na]+ 416.24209 204.0
[M-H]- 392.24559 205.1
[M+NH4]+ 411.28669 211.2
[M+K]+ 432.21603 200.8
[M+H-H2O]+ 376.25013 188.3
[M+HCOO]- 438.25107 222.5
[M+CH3COO]- 452.26672 243.5
[M+Na-2H]- 414.22754 203.4
[M]+ 393.25232 204.1
[M]- 393.25342 204.1
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.